1-(2-morpholin-4-ium-4-ylethyl)-4-[oxidanyl(phenyl)methylidene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-4-[oxidanyl(phenyl)methylidene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(phenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy(phenyl)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(phenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C22H25N3O4+2 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=C[NH+]=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=C[NH+]=CC=C4

InChI

InChI=1S/C22H23N3O4/c26-20(16-5-2-1-3-6-16)18-19(17-7-4-8-23-15-17)25(22(28)21(18)27)10-9-24-11-13-29-14-12-24/h1-8,15,19,26H,9-14H2/p+2